Vitas-M small molecule compound
propan-2-yl 4-{5-[(1E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoate
Catalog ID
STK085721
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C)C(=O)OC(C)C)/C(=O)NC1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-16(2)30-25(29)18-9-11-22(17(3)13-18)23-12-10-21(31-23)14-19(15-26)24(28)27-20-7-5-4-6-8-20/h9-14,16,20H,4-8H2,1-3H3,(H,27,28)/b19-14+InChIKey
OSRAYXLIUSYNCD-XMHGGMMESA-NSynonyms
CC1=C(C=CC(=C1)C(=O)OC(C)C)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCCC3
InChI=1SC25H28N2O4c116(2)3025(29)1891122(17(3)1318)23121021(3123)1419(1526)24(28)27207546820h9141620H48H213H3(H2728)b1914+
MFCD04126536
N#CC(=Cc1ccc(o1)c1ccc(cc1C)C(=O)OC(C)C)C(=O)NC1CCCCC1
PROPAN2YL4(5((1E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1EN1YL)FURAN2YL)3METHYLBENZOATE
PROPAN2YL4(5((E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1ENYL)FURAN2YL)3METHYLBENZOATE
STK085721
ZINC000001407110
ZINC01407110
ZINC1407110
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